5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole

C14H20Cl2N2 — CID 113390064

IUPAC5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
SMILESClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2
InChIKeyGITKCCUYYOWHHJ-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.05
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole

5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole (PubChem CID 113390064) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
PubChem CID113390064
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
SMILESClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2
InChIKeyGITKCCUYYOWHHJ-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71756122
5-Chloro-4-hexyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 130325051
5-Chloro-1-methyl-4-octyl-3-(trifluoromethyl)pyrazole
CID 135300099
4-(1-Chloroethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
CID 82698898
4-(1-Chloroethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
CID 82699490
4-(1-Chloropropyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
CID 82700081
4-(Chloromethyl)-3,5-diethyl-1-(3-fluoropropyl)pyrazole
CID 82700219
4-(Chloromethyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
CID 82700487
4-(1-Chloropropyl)-3,5-diethyl-1-(2-fluoroethyl)pyrazole
CID 82700633
5-Chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,3-dimethylpyrazole
CID 106640586
4-(5-Chloro-1,3-dimethylpyrazol-4-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 113960068
3-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 116073496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole (CID 113390064) is 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole is ClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The InChIKey is GITKCCUYYOWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2.
What are the key properties of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole has a molecular weight of 287.23 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole is sourced from PubChem (CID 113390064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).